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Ligand

NameCHEMBL454910
Molecular formulaC25H25BrN2O
IUPAC name[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-bromophenyl)methanone
Molecular weight449.392
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50245772
ZINC9272405
(4-bromophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl)methanone
Inchi KeyAKDYSUBBXLTFJI-BSDZUQITSA-N
Inchi IDInChI=1S/C25H25BrN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1
PubChem CID40995076
ChEMBLCHEMBL454910
IUPHARN/A
BindingDB50245772
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7463P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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